N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-pyridin-3-ylpyridine-2-carboxamide

C24H18ClFN6O — CID 66576211

About N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-pyridin-3-ylpyridine-2-carboxamide

N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 66576211) has the molecular formula C24H18ClFN6O and a molecular weight of 460.90 g/mol. Its IUPAC name is N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-pyridin-3-ylpyridine-2-carboxamide
• PubChem CID: 66576211
• Molecular Formula: C24H18ClFN6O
• Molecular Weight: 460.90 g/mol
• Exact Mass: 460.12
• IUPAC Name: N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-pyridin-3-ylpyridine-2-carboxamide
• SMILES: C[C@@H](Cn1ccc(-c2cc(F)c(C#N)c(Cl)c2)n1)NC(=O)c1ccc(-c2cccnc2)cn1
• InChI: InChI=1S/C24H18ClFN6O/c1-15(30-24(33)23-5-4-17(13-29-23)16-3-2-7-28-12-16)14-32-8-6-22(31-32)18-9-20(25)19(11-27)21(26)10-18/h2-10,12-13,15H,14H2,1H3,(H,30,33)/t15-/m0/s1
• InChIKey: DBCHZULJISYSBY-HNNXBMFYSA-N
• XLogP: 4.49
• TPSA: 96.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.90
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-pyridin-3-ylpyridine-2-carboxamide?

The IUPAC name of N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-pyridin-3-ylpyridine-2-carboxamide (CID 66576211) is N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-pyridin-3-ylpyridine-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-pyridin-3-ylpyridine-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-pyridin-3-ylpyridine-2-carboxamide is C[C@@H](Cn1ccc(-c2cc(F)c(C#N)c(Cl)c2)n1)NC(=O)c1ccc(-c2cccnc2)cn1.

What is the InChIKey of N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-pyridin-3-ylpyridine-2-carboxamide?

The InChIKey is DBCHZULJISYSBY-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H18ClFN6O/c1-15(30-24(33)23-5-4-17(13-29-23)16-3-2-7-28-12-16)14-32-8-6-22(31-32)18-9-20(25)19(11-27)21(26)10-18/h2-10,12-13,15H,14H2,1H3,(H,30,33)/t15-/m0/s1.

What are the key properties of N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-pyridin-3-ylpyridine-2-carboxamide?

N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 460.90 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-5-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 66576211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).